1-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-ol

C16H32N2O — CID 55131554

IUPAC1-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-ol
SMILESCC(C)(C)NCC1(CN2CCC(O)C2)CCCCC1
InChIInChI=1S/C16H32N2O/c1-15(2,3)17-12-16(8-5-4-6-9-16)13-18-10-7-14(19)11-18/h14,17,19H,4-13H2,1-3H3
InChIKeyHGSZYWOOFMRYBF-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.39
Rot. Bonds4

About 1-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-ol

1-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-ol (PubChem CID 55131554) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-ol
PubChem CID55131554
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-ol
SMILESCC(C)(C)NCC1(CN2CCC(O)C2)CCCCC1
InChIInChI=1S/C16H32N2O/c1-15(2,3)17-12-16(8-5-4-6-9-16)13-18-10-7-14(19)11-18/h14,17,19H,4-13H2,1-3H3
InChIKeyHGSZYWOOFMRYBF-UHFFFAOYSA-N
XLogP2.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-ol (CID 55131554) is 1-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-ol is CC(C)(C)NCC1(CN2CCC(O)C2)CCCCC1.
What is the InChIKey of 1-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-ol?
The InChIKey is HGSZYWOOFMRYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-15(2,3)17-12-16(8-5-4-6-9-16)13-18-10-7-14(19)11-18/h14,17,19H,4-13H2,1-3H3.
What are the key properties of 1-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-ol?
1-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-ol has a molecular weight of 268.44 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 55131554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).